Reaction Details Report a problem with these data
Target
Sphingosine kinase 2
Ligand
BDBM50393642
Substrate
n/a
Meas. Tech.
ChEMBL_1300235 (CHEMBL3136699)
Ki
10000±n/a nM
Citation
 Byun, HS; Pyne, S; Macritchie, N; Pyne, NJ; Bittman, R Novel sphingosine-containing analogues selectively inhibit sphingosine kinase (SK) isozymes, induce SK1 proteasomal degradation and reduce DNA synthesis in human pulmonary arterial smooth muscle cells. Medchemcomm 4:0 (2013) [PubMed]  Article 
Target
Name:
Sphingosine kinase 2
Synonyms:
SK 2 | SK2 | SPHK2 | SPHK2_HUMAN | SPK 2 | Sphingosine kinase 2 | Sphingosine kinase types 2 (SphK2)
Type:
Protein
Mol. Mass.:
69221.44
Organism:
Homo sapiens (Human)
Description:
Q9NRA0
Residue:
654
Sequence:
MNGHLEAEEQQDQRPDQELTGSWGHGPRSTLVRAKAMAPPPPPLAASTPLLHGEFGSYPARGPRFALTLTSQALHIQRLRPKPEARPRGGLVPLAEVSGCCTLRSRSPSDSAAYFCIYTYPRGRRGARRRATRTFRADGAATYEENRAEAQRWATALTCLLRGLPLPGDGEITPDLLPRPPRLLLLVNPFGGRGLAWQWCKNHVLPMISEAGLSFNLIQTERQNHARELVQGLSLSEWDGIVTVSGDGLLHEVLNGLLDRPDWEEAVKMPVGILPCGSGNALAGAVNQHGGFEPALGLDLLLNCSLLLCRGGGHPLDLLSVTLASGSRCFSFLSVAWGFVSDVDIQSERFRALGSARFTLGTVLGLATLHTYRGRLSYLPATVEPASPTPAHSLPRAKSELTLTPDPAPPMAHSPLHRSVSDLPLPLPQPALASPGSPEPLPILSLNGGGPELAGDWGGAGDAPLSPDPLLSSPPGSPKAALHSPVSEGAPVIPPSSGLPLPTPDARVGASTCGPPDHLLPPLGTPLPPDWVTLEGDFVLMLAISPSHLGADLVAAPHARFDDGLVHLCWVRSGISRAALLRLFLAMERGSHFSLGCPQLGYAAARAFRLEPLTPRGVLTVDGEQVEYGPLQAQMHPGIGTLLTGPPGCPGREP
  
Inhibitor
Name:
BDBM50393642
Synonyms:
CHEMBL2158685
Type:
Small organic molecule
Emp. Form.:
C23H25ClN2O
Mol. Mass.:
380.91
SMILES:
Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2 |TLB:14:9:26:15.13.12,14:13:8.9.10:26,THB:16:13:8:10.11.26,16:13:8.9.10:26,12:13:8:10.11.26,12:11:8:15.14.13|
Structure:
Search PDB for entries with ligand similarity: